>compound 1,10-Phenanthroline_1,10-Phenanthroline
#instrument UPLC Q-Tof Premier, Waters
>formula C12H8N2
#smiles c(c3)cc(c1)c(n3)c(n2)c(ccc2)c1
#RECORD LC-ESI-QTOF_train_data/PR100010.txt;LC-ESI-QTOF_train_data/PR100011.txt
>charge 1
>ionization [M+H]+
>parentmass 181.07654

>collision 5-60
127.0552 116.4
154.066 231.1
181.0765 2264.0

>collision 30
77.0403 59.88
101.0408 37.41
126.0491 39.61
127.0559 231.9
128.0521 68.18
152.0506 32.51
153.0593 50.45
154.0676 343.9
179.0623 102.4
181.0786 448.8

